Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.54 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7409942 | 1.00 | KDM4E (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| Hydrochloric Acid SCHEMBL7410330 | 0.99 | KDM4E (0.52) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL7829771 | 0.90 | CHRNA3 (0.56) | CHRNB2CHRNA4 | |
| SCHEMBL7828976 | 0.90 | CHRNA3 (0.56) | CHRNB2CHRNA4 | |
| SCHEMBL7414975 | 0.85 | KDM4E (0.56) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL7818063 | 0.85 | KDM4E (0.56) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL7415131 | 0.84 | CHRNB2 (0.41) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL7817714 | 0.84 | KDM4E (0.55) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL7477214 | 0.82 | KDM4E (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 | |
| SCHEMBL7816677 | 0.82 | KDM4E (0.54) | KDM4ECYP1A2CYP2D6CYP2C9CHRNB2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846114-B1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2001-12-05 | — | — | EP | claimed |
| EP-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | claimed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | claimed |
| EP-0846114-B1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LAB (US) | 2001-12-05 | — | — | EP | disclosed |
| EP-0846114-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996040682-A1 | 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |